Receptor
PDB id Resolution Class Description Source Keywords
2FPU 1.8 Å EC: 3.1.3.15 CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF E.COLI HISB- C WITH HISTIDINOL ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE HISB BIFUNCTIONAL ENZYME.STRUCTURAL GENOMICS BACTERIAL STRUCTURE GENOMICS MONTREALBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI HYDROLASE
Ref.: STRUCTURAL SNAPSHOTS OF ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE ALONG THE REACTION PATHWAY. J.BIOL.CHEM. V. 281 37930 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:502;
B:501;
B:503;
B:504;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
HSO B:509;
Valid;
none;
submit data
142.179 C6 H12 N3 O c1c([...
MG A:507;
B:508;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ZN A:506;
B:505;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FPU 1.8 Å EC: 3.1.3.15 CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF E.COLI HISB- C WITH HISTIDINOL ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE HISB BIFUNCTIONAL ENZYME.STRUCTURAL GENOMICS BACTERIAL STRUCTURE GENOMICS MONTREALBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI HYDROLASE
Ref.: STRUCTURAL SNAPSHOTS OF ESCHERICHIA COLI HISTIDINOL PHOSPHATE PHOSPHATASE ALONG THE REACTION PATHWAY. J.BIOL.CHEM. V. 281 37930 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FPU - HSO C6 H12 N3 O c1c([nH+]c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FPU - HSO C6 H12 N3 O c1c([nH+]c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FPU - HSO C6 H12 N3 O c1c([nH+]c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HSO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HSO 1 1
2 HIS 0.52381 0.846154
3 DHI 0.52381 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FPU; Ligand: HSO; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 2fpu.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5COU ATP 0.01508 0.41563 3.40909
2 4N14 WR7 0.01091 0.41202 7.38636
3 3L8G GMB 0.0000006784 0.54547 40.3409
Pocket No.: 2; Query (leader) PDB : 2FPU; Ligand: HSO; Similar sites found: 154
This union binding pocket(no: 2) in the query (biounit: 2fpu.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.0006074 0.49644 None
2 1BTN I3P 0.006896 0.43146 None
3 3C1O NAP 0.0082 0.42996 None
4 1SS4 CIT 0.01436 0.42811 None
5 4HGP KDO 0.02393 0.41987 None
6 1UO5 PIH 0.01705 0.41082 None
7 1UO4 PIH 0.01662 0.40294 None
8 1KHT AMP 0.0004539 0.40055 None
9 2EB5 OXL 0.003408 0.40005 None
10 3S9K CIT 0.00002396 0.57789 1.69492
11 3UDG TMP 0.001148 0.44921 1.70455
12 4UOH ADP 0.005735 0.41499 1.98676
13 4EXO PYR 0.001918 0.43033 2.05479
14 2BZ1 TAU 0.0001796 0.5119 2.27273
15 1HFA PIO 0.0003295 0.49787 2.27273
16 2WM1 13P 0.0002636 0.42001 2.27273
17 1HQL GLA MBG 0.004213 0.40808 2.27273
18 3FW3 GLC 0.01333 0.40699 2.27273
19 2FWP CIT 0.003872 0.45403 2.84091
20 4A3X LAT 0.001605 0.44249 2.84091
21 2PTZ PAH 0.003817 0.43264 2.84091
22 1OMZ UD2 0.02784 0.42395 2.84091
23 3CBG 4FE 0.007759 0.41906 2.84091
24 4LWM MHO 0.03609 0.41472 2.84091
25 3CBG FER 0.006922 0.41313 2.84091
26 1GVF PGH 0.0005065 0.4095 2.84091
27 1T3D CYS 0.004758 0.40584 2.84091
28 1JAC AMG 0.003073 0.43859 3.00752
29 1NU4 MLA 0.0003725 0.49574 3.09278
30 2YVF NAD 0.003294 0.48383 3.40909
31 2YVF FAD 0.01399 0.45038 3.40909
32 1GJW GLC 0.0005368 0.44595 3.40909
33 3TKA CTN 0.004109 0.44312 3.40909
34 3IHB TRS 0.02519 0.41623 3.40909
35 3IB9 BTN 0.003774 0.41363 3.40909
36 2VDJ HSE 0.005086 0.4116 3.40909
37 3IHB GLU 0.004038 0.40886 3.40909
38 1I0Z OXM 0.009421 0.40693 3.40909
39 2Q3M MLA 0.01067 0.40442 3.40909
40 1YFZ IMP 0.001818 0.40149 3.40909
41 1UUY PPI 0.005705 0.41702 3.59281
42 1JGS SAL 0.007149 0.43019 3.62319
43 1Y1A GSH 0.001406 0.47604 3.97727
44 4N02 FNR 0.01283 0.44747 3.97727
45 3VPD BUA 0.003533 0.44634 3.97727
46 3VPD CIT 0.003055 0.43872 3.97727
47 4N7U 2JA 0.003987 0.42422 3.97727
48 2V5E SCR 0.00702 0.42117 3.97727
49 4M51 BEZ 0.009027 0.40057 3.97727
50 4WBD ADP 0.002679 0.41641 4.06654
51 4WBD CIT 0.005501 0.4101 4.06654
52 2O66 FLC 0.001459 0.40193 4.44444
53 4G1V FAD 0.0006801 0.48613 4.54545
54 4R33 TRP 0.002458 0.4662 4.54545
55 4R33 SAH 0.002458 0.4662 4.54545
56 1G0V NAG 0.002392 0.45394 4.54545
57 1RYI GOA 0.004711 0.44188 4.54545
58 2FUE M1P 0.0004995 0.43243 4.54545
59 2CW6 3HG 0.002727 0.43185 4.54545
60 1H16 PYR 0.003205 0.42047 4.54545
61 9LDT OXM 0.01057 0.41252 4.54545
62 4JLV ADP 0.01342 0.41168 4.54545
63 3SCH TB6 0.002553 0.40655 4.54545
64 5YAS FAC 0.01133 0.40441 4.54545
65 3GTD MLI 0.001903 0.40171 4.54545
66 1T0S BML 0.001919 0.43032 4.65116
67 1DXY COI 0.0002178 0.48255 5.11364
68 1O9U ADZ 0.001079 0.45046 5.11364
69 1NME 159 0.002204 0.43612 5.11364
70 2QCX PF1 0.0009774 0.41359 5.11364
71 4USS GSH 0.0004532 0.41313 5.11364
72 3MAG 3MA 0.01365 0.40711 5.11364
73 1TO9 HMH 0.001038 0.40687 5.11364
74 1C3V PDC 0.001208 0.40547 5.11364
75 1YOA FMN 0.02001 0.40724 5.66038
76 4M5P MLA 0.00164 0.45182 5.68182
77 1V5F FAD 0.04207 0.45163 5.68182
78 1V5F TPP 0.04207 0.45163 5.68182
79 3SUC ATP 0.002307 0.4437 5.68182
80 1H9G COA MYR 0.007922 0.43362 5.68182
81 4CCN OGA 0.001543 0.41474 5.68182
82 4RJK PYR 0.004746 0.41293 5.68182
83 1RZM E4P 0.004452 0.40706 5.68182
84 3FPZ AHZ 0.01359 0.45975 5.82822
85 1UWZ THU 0.004328 0.43016 5.88235
86 1IS3 LAT 0.004863 0.40544 5.92593
87 3SQG COM 0.003166 0.43796 6.25
88 1RYD GLC 0.0005203 0.43274 6.25
89 1WRA PC 0.001549 0.42648 6.25
90 3B9Z CO2 0.001347 0.41548 6.25
91 5D63 FUC GAL GLA 0.0003288 0.40655 6.25
92 4DXJ 0M9 0.002863 0.43105 6.81818
93 2H6B 3C4 0.04898 0.41858 6.81818
94 2OWZ CIT 0.003236 0.40169 6.81818
95 1H8P PC 0.001113 0.44983 7.33945
96 2YD6 FLC 0.0006677 0.50455 7.38636
97 3ZLM ANP 0.0003788 0.483 7.38636
98 1B74 DGN 0.0006927 0.44985 7.38636
99 3F81 STT 0.002058 0.4375 7.38636
100 1NXJ GLV 0.0001656 0.41674 7.38636
101 2XDQ MGX 0.006333 0.41492 7.38636
102 4WVH ASP HIS ASP ALA HIS ALA 0.0002425 0.41168 7.38636
103 1QO0 BMD 0.002151 0.40988 7.65306
104 2WGC SIA GAL BGC 0.004323 0.44137 7.95455
105 2BLE 5GP 0.02133 0.44013 7.95455
106 4RNV HBA 0.02671 0.4249 7.95455
107 4AF5 CIT 0.002986 0.40304 7.95455
108 1DL7 NCH 0.003417 0.4466 8.25688
109 2WQP WQP 0.003092 0.45314 8.52273
110 1UF5 CDT 0.0001558 0.41128 8.52273
111 2Q1A 2KT 0.001829 0.41103 8.52273
112 3I6B KDO 0.000537 0.411 8.52273
113 2AEB ABH 0.04165 0.40634 8.52273
114 3HZL 6PC 0.01079 0.4042 8.52273
115 4B9E FAH 0.006293 0.40069 8.52273
116 2XI7 XI7 0.002189 0.45648 9.09091
117 2X2T GAL NGA 0.001145 0.44926 9.09091
118 1X54 4AD 0.0101 0.42567 9.09091
119 2YIV YIV 0.002981 0.42186 9.09091
120 2IZ1 ATR 0.001128 0.41962 9.09091
121 2YIV NBN 0.005213 0.40416 9.09091
122 4E28 9MZ 0.002752 0.40394 9.09091
123 3BHO B4P 0.01687 0.40262 9.13461
124 2ZWS PLM 0.0003129 0.49961 9.65909
125 3ZGE ASP 0.001534 0.43461 9.65909
126 3UBW 6SP 0.009655 0.41671 9.65909
127 1G8S MET 0.002926 0.40219 9.65909
128 1XHL NDP 0.004508 0.4521 10.2273
129 1FDJ 13P 0.001063 0.44089 10.2273
130 1FDJ 2FP 0.01272 0.40452 10.2273
131 3PMA SCR 0.0006928 0.40237 10.3448
132 2VQ5 LDP 0.007862 0.41057 10.7955
133 4F8L GAL 0.001653 0.46271 11.0345
134 3QDV NDG 0.002819 0.42294 11.1888
135 3QDX A2G GAL 0.003433 0.41915 11.1888
136 3QDT A2G GAL 0.004404 0.41437 11.1888
137 3QDW A2G 0.006951 0.41305 11.1888
138 3QDY A2G GAL 0.004979 0.41201 11.1888
139 3QDV A2G 0.009225 0.40735 11.1888
140 3I7S PYR 0.0009392 0.44401 11.3636
141 1II5 GLU 0.001685 0.40058 11.3636
142 1IYE PGU 0.001023 0.48206 11.9318
143 3O03 GCO 0.0007069 0.45894 11.9318
144 1PTR PRB 0.002642 0.41666 12
145 1SC3 MLI 0.0008899 0.44505 13.6364
146 1TDF NAP 0.01036 0.46276 14.2045
147 1TDF FAD 0.007419 0.45568 14.2045
148 1Y4Z PCI 0.002334 0.41895 14.2045
149 2F7C CCU 0.001534 0.40468 15.9091
150 1C1L GAL BGC 0.005136 0.40443 16.0584
151 3L24 GOA 0.004035 0.42398 16.4773
152 2P1M IHP 0.01209 0.42342 16.4773
153 1H2K OGA 0.003193 0.40106 17.0732
154 3A8U PLP 0.01557 0.41673 17.6136
Feedback